Data quality metrics extracted from 5xvi.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "b5f85bf0a13602821ddff104491f5421",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 92.80,
    "b": 92.82,
    "c": 111.69,
    "alpha": 103.46,
    "beta": 94.17,
    "gamma": 120.13
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.0,2.8],
    "number_observations_unique": 69072,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06
      },
      {
        "type": "I/SigI",
        "value": 11.2
      },
      {
        "type": "Completeness",
        "value": 92.0
      },
      {
        "type": "Redundancy",
        "value": 2.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.9,2.8],
      "number_observations_unique": 6502,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.28
        },
        {
          "type": "I/SigI",
          "value": 3.6
        },
        {
          "type": "Completeness",
          "value": 86.0
        },
        {
          "type": "Redundancy",
          "value": 1.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.84
        }
      ]
    }
  ]

}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):


Binned data generated from MXLIMS-JSON (via JavaScript):